HRID1549224

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID15458

tert-Butyl acrylate

C7H12O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID61778

Bisulfate anion

HO4S-

结构：COc1ccc(-c2c(-c3ccccc3)oc3ncnc(OC(C)C(C)O)c23)cc1

HCID58016943

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2c(-c3ccccc3)oc3ncnc(OC(C)C(C)OCCC(=O)OC(C)(C)C)c23)cc1

HCID25096416

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ac89f7835284932ac769caded5fc0b3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:32]([CH:33]=[CH2:34])(=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40].[CH2:46]([N+:47]([CH2:48][CH2:49][CH2:50][CH3:51])([CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH2:58][CH3:59])[CH2:60][CH2:61][CH3:62].[CH3:3][O:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12](-[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[o:13][c:14]3[n:15][cH:16][n:17][c:18]([O:20][CH:21]([CH:22]([CH3:23])[OH:24])[CH3:25])[c:19]23)[cH:9][cH:10]1.[Cl:63][CH2:64][Cl:65].[Na+:2].[OH-:1].[S:41]([O-:42])([OH:43])(=[O:44])=[O:45]>>[CH3:3][O:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12](-[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[o:13][c:14]3[n:15][cH:16][n:17][c:18]([O:20][CH:21]([CH:22]([CH3:23])[O:24][CH2:34][CH2:33][C:32](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH3:25])[c:19]23)[cH:9][cH:10]1